Zn2Sn6Sb
Alexandria ALEXAlex-ID: agm097955737 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1145_spg12
ZnSnSb2 Zn Sn
2025-04-08 15:03:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097955737).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm097955737
data_agm097955737
_cell_length_a 6.54577
_cell_length_b 4.52047
_cell_length_c 8.41699
_cell_angle_alpha 91.53064
_cell_angle_beta 91.56338
_cell_angle_gamma 107.80441
_cell_volume 236.88098
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zn1 Zn 0.84760 0.84326 0.05782 1.00000
Zn2 Zn 0.02968 0.93260 0.44081 1.00000
Sn1 Sn 0.74627 0.29499 0.85376 1.00000
Sn2 Sn 0.15272 0.49292 0.63490 1.00000
Sn3 Sn 0.94544 0.38981 0.25073 1.00000
Sn4 Sn 0.24530 0.03547 0.89807 1.00000
Sn5 Sn 0.47250 0.15509 0.37688 1.00000
Sn6 Sn 0.65257 0.73834 0.61150 1.00000
Sb1 Sb 0.40793 0.61753 0.12553 1.00000
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